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	hartrees
Energy at 0K	-178.828807
Energy at 298.15K
HF Energy	-178.149945
Nuclear repulsion energy	79.708036

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.551	0.000
C2	1.110	-0.458	0.000
F3	-1.218	-0.088	0.000
H4	0.060	1.183	0.882
H5	0.060	1.183	-0.882
H6	2.069	0.053	0.000
H7	1.054	-1.090	0.882
H8	1.054	-1.090	-0.882

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5000	1.3750	1.0873	1.0873	2.1279	2.1399	2.1399
C2	1.5000		2.3567	2.1388	2.1388	1.0868	1.0859	1.0859
F3	1.3750	2.3567		2.0072	2.0072	3.2895	2.6344	2.6344
H4	1.0873	2.1388	2.0072		1.7643	2.4678	2.4808	3.0439
H5	1.0873	2.1388	2.0072	1.7643		2.4678	3.0439	2.4808
H6	2.1279	1.0868	3.2895	2.4678	2.4678		1.7645	1.7645
H7	2.1399	1.0859	2.6344	2.4808	3.0439	1.7645		1.7631
H8	2.1399	1.0859	2.6344	3.0439	2.4808	1.7645	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.666	C1	C2	H7	110.672
C1	C2	H8	110.672	C2	C1	F3	110.040
C2	C1	H4	110.505	C2	C1	H5	110.505
F3	C1	H4	108.642	F3	C1	H5	108.642
H4	C1	H5	108.451	H6	C2	H7	108.612
H6	C2	H8	108.612	H7	C2	H8	108.550

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)